CHEBI:9774 - tubocurarine

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ChEBI Name tubocurarine
ChEBI ID CHEBI:9774
Definition A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C37H41N2O6
Net Charge +1
Average Mass 609.73132
Monoisotopic Mass 609.296
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
InChIKey JFJZZMVDLULRGK-URLMMPGGSA-O
SMILES [H][C@]12Cc3ccc(Oc4c(O)c(OC)cc5CC[N+](C)(C)[C@]([H])(Cc6ccc(O)c(Oc7cc1c(CCN2C)cc7OC)c6)c45)cc3
Roles Classification
Biological Role(s): nicotinic antagonist
An antagonist at the nicotinic cholinergic receptor.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): nicotinic antagonist
An antagonist at the nicotinic cholinergic receptor.
muscle relaxant
A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
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ChEBI Ontology
Outgoing tubocurarine (CHEBI:9774) has parent hydride tubocuraran (CHEBI:36327)
tubocurarine (CHEBI:9774) has role muscle relaxant (CHEBI:51371)
tubocurarine (CHEBI:9774) has role nicotinic antagonist (CHEBI:48878)
tubocurarine (CHEBI:9774) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
IUPAC Name
7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium
Synonyms Sources
(+)-tubocurarine ChemIDplus
7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium ChemIDplus
d-tubocurarine ChEBI
Tubocurarin ChemIDplus
Tubocurarine KEGG COMPOUND
Database Links Databases
2781 DrugCentral
C00001927 KNApSAcK
C07547 KEGG COMPOUND
DB01199 DrugBank
LSM-4245 LINCS
TC9 PDBeChem
Tubocurarine_chloride Wikipedia
View more database links
Registry Numbers Types Sources
3898737 Reaxys Registry Number Reaxys
3898737 Beilstein Registry Number Beilstein
57-95-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
2215478 PubMed citation Europe PMC
6196640 PubMed citation Europe PMC
7911306 PubMed citation Europe PMC
8166227 PubMed citation Europe PMC
Last Modified
22 February 2017